3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine

C15H20N2S — CID 116884791

IUPAC3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1ccc(-c2nc(C)c(C(C)CCN)s2)cc1
InChIInChI=1S/C15H20N2S/c1-10-4-6-13(7-5-10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3
InChIKeyOWCVDHNLPBWBMB-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.88
Rot. Bonds4

About 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine

3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine (PubChem CID 116884791) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
PubChem CID116884791
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
SMILESCc1ccc(-c2nc(C)c(C(C)CCN)s2)cc1
InChIInChI=1S/C15H20N2S/c1-10-4-6-13(7-5-10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3
InChIKeyOWCVDHNLPBWBMB-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884586
3-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116884799
3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-amine
CID 116884789
3-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]butan-1-amine
CID 116884811
(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 6923600
4-amino-3-methoxy-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 120591992
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-amine
CID 15123518
2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
CID 119779776
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
(1S)-1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001078

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine (CID 116884791) is 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine is Cc1ccc(-c2nc(C)c(C(C)CCN)s2)cc1.
What is the InChIKey of 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
The InChIKey is OWCVDHNLPBWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-4-6-13(7-5-10)15-17-12(3)14(18-15)11(2)8-9-16/h4-7,11H,8-9,16H2,1-3H3.
What are the key properties of 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine?
3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]butan-1-amine is sourced from PubChem (CID 116884791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).